CID 18385179

6-chloro-1-methyl-1h-indole-3-carboxylic acid

Structural Information

Molecular Formula
C10H8ClNO2
SMILES
CN1C=C(C2=C1C=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C10H8ClNO2/c1-12-5-8(10(13)14)7-3-2-6(11)4-9(7)12/h2-5H,1H3,(H,13,14)
InChIKey
UMVCXQBKCZPXCR-UHFFFAOYSA-N
Compound name
6-chloro-1-methylindole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

209.02435 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.03163 139.8
[M+Na]+ 232.01357 152.2
[M-H]- 208.01707 142.9
[M+NH4]+ 227.05817 161.1
[M+K]+ 247.98751 147.3
[M+H-H2O]+ 192.02161 135.0
[M+HCOO]- 254.02255 158.3
[M+CH3COO]- 268.03820 182.8
[M+Na-2H]- 229.99902 144.9
[M]+ 209.02380 144.4
[M]- 209.02490 144.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe